CHEBI:85058 - 12-methyloctadecanoic acid

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ChEBI Name 12-methyloctadecanoic acid
ChEBI ID CHEBI:85058
Definition A methyl-branched fatty acid that is octadecanoic (stearic) acid bearing a methyl substituent at position 12.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H38O2
Net Charge 0
Average Mass 298.50380
Monoisotopic Mass 298.28718
InChI InChI=1S/C19H38O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChIKey MEBDGIUGSQZVMA-UHFFFAOYSA-N
SMILES CCCCCCC(C)CCCCCCCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 12-methyloctadecanoic acid (CHEBI:85058) has functional parent octadecanoic acid (CHEBI:28842)
12-methyloctadecanoic acid (CHEBI:85058) is a branched-chain saturated fatty acid (CHEBI:39417)
12-methyloctadecanoic acid (CHEBI:85058) is a long-chain fatty acid (CHEBI:15904)
12-methyloctadecanoic acid (CHEBI:85058) is a methyl-branched fatty acid (CHEBI:62499)
12-methyloctadecanoic acid (CHEBI:85058) is conjugate acid of 12-methyloctadecanoate (CHEBI:84176)
Incoming 12-methyloctadecanoyl-CoA (CHEBI:85073) has functional parent 12-methyloctadecanoic acid (CHEBI:85058)
12-methyloctadecanoate (CHEBI:84176) is conjugate base of 12-methyloctadecanoic acid (CHEBI:85058)
IUPAC Name
12-methyloctadecanoic acid
Synonyms Sources
12-methyl-octadecanoic acid LIPID MAPS
12-methylstearic acid ChEBI
Manual Xref Database
LMFA01020211 LIPID MAPS
View more database links
Registry Number Type Source
1725996 Reaxys Registry Number Reaxys
Last Modified
03 March 2015